6-iodanyl-2-pentylsulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 6-iodanyl-2-pentylsulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-6-iodo-2-pentylsulfanyl-quinazolin-4-one CAS Name: 6-iodo-2-(pentylthio)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-6-iodo-2-pentylsulfanylquinazolin-4-one Traditional Name: 2-(amylthio)-3-benzyl-6-iodo-quinazolin-4-one Formula: C20H21IN2OS MolecularWeight: 464.36301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C20H21IN2OS/c1-2-3-7-12-25-20-22-18-11-10-16(21)13-17(18)19(24)23(20)14-15-8-5-4-6-9-15/h4-6,8-11,13H,2-3,7,12,14H2,1H3